N-[3-(azepan-1-yl)propyl]-3-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-3-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
N-[3-(azepan-1-yl)propyl]-3-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Compound characteristics
| Compound ID: | K999-0312 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-3-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide |
| Molecular Weight: | 464.56 |
| Molecular Formula: | C26 H32 N4 O4 |
| Smiles: | COc1cc(cc(c1)OC)N1C(c2ccccc2C(C(NCCCN2CCCCCC2)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5296 |
| logD: | 0.9589 |
| logSw: | -3.7218 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.704 |
| InChI Key: | OEMOLIWHDHTHOE-UHFFFAOYSA-N |